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{
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{
"id": "mp-1033637",
"created_at": "2022-09-04T14:40:25.706158Z",
"structure_string": "Rb1 Mg6 W1 O8\n1.0\n9.066533 0.000000 0.000000\n0.000000 4.571621 0.000000\n0.000000 0.000000 4.571621\nRb Mg W O\n1 6 1 8\ndirect\n0.000000 -0.000000 -0.000000 Rb\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.236565 -0.000000 0.500000 Mg\n0.763435 0.000000 0.500000 Mg\n0.236565 0.500000 0.000000 Mg\n0.763435 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 W\n0.271126 -0.000000 -0.000000 O\n0.728874 0.000000 0.000000 O\n0.254172 0.500000 0.500000 O\n0.745828 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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],
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"volume": 189.4879880842299,
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"formula_full": "Rb1 Mg6 W1 O8",
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},
{
"id": "mp-777999",
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"structure_string": "V6 O6 F12\n1.0\n2.601694 4.532605 0.000000\n-2.601694 4.532605 0.000000\n0.000000 0.260431 13.383017\nV O F\n6 6 12\ndirect\n0.005536 0.014709 0.493143 V\n0.014709 0.005536 0.993143 V\n0.642507 0.714123 0.827099 V\n0.305270 0.368224 0.659376 V\n0.714123 0.642507 0.327099 V\n0.368224 0.305270 0.159376 V\n0.313257 0.924106 0.919402 O\n0.001427 0.571098 0.252075 O\n0.093423 0.659269 0.584205 O\n0.571098 0.001427 0.752075 O\n0.924106 0.313257 0.419402 O\n0.659269 0.093423 0.084205 O\n0.989430 0.408695 0.750818 F\n0.395033 0.591615 0.755179 F\n0.345586 0.731124 0.415253 F\n0.066983 0.270688 0.083452 F\n0.270688 0.066983 0.583452 F\n0.591615 0.395033 0.255179 F\n0.731124 0.345586 0.915253 F\n0.408695 0.989430 0.250818 F\n0.251060 0.680483 0.089881 F\n0.740877 0.915466 0.420116 F\n0.915466 0.740877 0.920116 F\n0.680483 0.251060 0.589881 F\n",
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"elements": [
"V",
"O",
"F"
],
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"density_atomic": 0.07603667677001445,
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"formula_full": "V6 O6 F12",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:54.940000Z",
"spacegroup": 9
},
{
"id": "mp-756591",
"created_at": "2022-09-04T14:40:25.754092Z",
"structure_string": "Sm6 Nb2 O14\n1.0\n3.838174 -5.405642 0.000000\n3.838174 5.405642 0.000000\n0.000000 0.000000 7.677232\nSm Nb O\n6 2 14\ndirect\n0.463788 0.000573 0.254850 Sm\n0.999427 0.536212 0.245150 Sm\n0.473512 0.473512 0.000000 Sm\n0.526488 0.526488 0.500000 Sm\n0.536212 0.999427 0.754850 Sm\n0.000573 0.463788 0.745150 Sm\n0.003317 0.003317 0.500000 Nb\n0.996683 0.996683 0.000000 Nb\n0.935218 0.064782 0.750000 O\n0.636398 0.363602 0.750000 O\n0.311097 0.059613 0.536871 O\n0.940387 0.688903 0.963129 O\n0.629561 0.370439 0.250000 O\n0.920911 0.676462 0.526395 O\n0.323538 0.079089 0.973605 O\n0.079089 0.323538 0.026395 O\n0.676462 0.920911 0.473605 O\n0.370439 0.629561 0.750000 O\n0.688903 0.940387 0.036871 O\n0.059613 0.311097 0.463129 O\n0.363602 0.636398 0.250000 O\n0.064782 0.935218 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Nb",
"O"
],
"chemical_system": "Nb-O-Sm",
"density": 6.83855800457934,
"density_atomic": 0.06905833143905941,
"volume": 318.5712649228127,
"volume_molar": 8.720368179347403,
"formula_full": "Sm6 Nb2 O14",
"formula_reduced": "Sm3NbO7",
"formula_anonymous": "AB3C7",
"energy": -198.8239332,
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"updated_at": "2021-11-28T01:34:55.463000Z",
"spacegroup": 20
},
{
"id": "mp-1013535",
"created_at": "2022-09-04T14:40:25.758043Z",
"structure_string": "Sr3 Sb1 P1\n1.0\n6.100651 0.000000 0.000000\n0.000000 6.100651 0.000000\n0.000000 0.000000 6.100651\nSr Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
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"elements": [
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"Sb",
"P"
],
"chemical_system": "P-Sb-Sr",
"density": 3.0394120061065366,
"density_atomic": 0.022021224340144124,
"volume": 227.0536788858342,
"volume_molar": 27.34698428652667,
"formula_full": "Sr3 Sb1 P1",
"formula_reduced": "Sr3SbP",
"formula_anonymous": "ABC3",
"energy": -16.22934672,
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"updated_at": "2021-11-28T01:34:56.426000Z",
"spacegroup": 221
},
{
"id": "mp-705194",
"created_at": "2022-09-04T14:40:25.791195Z",
"structure_string": "Mn16 Sn8 C80 Br8 O80\n1.0\n12.605288 0.000000 0.000000\n0.000000 16.794212 0.000000\n0.000000 5.408401 16.542480\nMn Sn C Br O\n16 8 80 8 80\ndirect\n0.171748 0.605690 0.339526 Mn\n0.943418 0.918225 0.337223 Mn\n0.443418 0.081775 0.162777 Mn\n0.828252 0.394310 0.660474 Mn\n0.328252 0.605690 0.839526 Mn\n0.161609 0.812631 0.078039 Mn\n0.697877 0.705306 0.320439 Mn\n0.802123 0.705306 0.820439 Mn\n0.338391 0.812631 0.578039 Mn\n0.197877 0.294694 0.179561 Mn\n0.838391 0.187369 0.921961 Mn\n0.302123 0.294694 0.679561 Mn\n0.556582 0.918225 0.837223 Mn\n0.671748 0.394310 0.160474 Mn\n0.056582 0.081775 0.662777 Mn\n0.661609 0.187369 0.421961 Mn\n0.623380 0.800137 0.764957 Sn\n0.055091 0.714310 0.213041 Sn\n0.876620 0.800137 0.264957 Sn\n0.123380 0.199863 0.735043 Sn\n0.944909 0.285690 0.786959 Sn\n0.444909 0.714310 0.713041 Sn\n0.376620 0.199863 0.235043 Sn\n0.555091 0.285690 0.286959 Sn\n0.054534 0.606541 0.403905 C\n0.401763 0.909132 0.588989 C\n0.170392 0.291338 0.286224 C\n0.192052 0.088163 0.619689 C\n0.514947 0.997746 0.882279 C\n0.792805 0.290228 0.928545 C\n0.753913 0.465801 0.577687 C\n0.281650 0.613579 0.266092 C\n0.329608 0.291338 0.786224 C\n0.707195 0.290228 0.428545 C\n0.454567 0.802701 0.514717 C\n0.746087 0.465801 0.077687 C\n0.514677 0.829069 0.925844 C\n0.610853 0.479303 0.193949 C\n0.718350 0.386421 0.733908 C\n0.635802 0.810501 0.294983 C\n0.268864 0.812047 0.151077 C\n0.731136 0.187953 0.848923 C\n0.599274 0.999454 0.742129 C\n0.400726 0.000546 0.257871 C\n0.445466 0.606541 0.903905 C\n0.389147 0.520697 0.806051 C\n0.598237 0.090868 0.411011 C\n0.864198 0.810501 0.794983 C\n0.829608 0.708662 0.713776 C\n0.775782 0.300168 0.639248 C\n0.807948 0.911837 0.380311 C\n0.218350 0.613579 0.766092 C\n0.985323 0.829069 0.425844 C\n0.292805 0.709772 0.571455 C\n0.774416 0.606512 0.336131 C\n0.900726 0.999454 0.242129 C\n0.231136 0.812047 0.651077 C\n0.741637 0.126326 0.506572 C\n0.110853 0.520697 0.306051 C\n0.253913 0.534199 0.922313 C\n0.274416 0.393488 0.163869 C\n0.225584 0.393488 0.663869 C\n0.045433 0.802701 0.014717 C\n0.573537 0.085485 0.210904 C\n0.224218 0.699832 0.360752 C\n0.425061 0.349369 0.640253 C\n0.954567 0.197299 0.985283 C\n0.098237 0.909132 0.088989 C\n0.889147 0.479303 0.693949 C\n0.485053 0.002254 0.117721 C\n0.758363 0.126326 0.006572 C\n0.759392 0.708433 0.921744 C\n0.073537 0.914515 0.289096 C\n0.781650 0.386421 0.233908 C\n0.259392 0.291567 0.578256 C\n0.099274 0.000546 0.757871 C\n0.574939 0.650631 0.359747 C\n0.901763 0.090868 0.911011 C\n0.545433 0.197299 0.485283 C\n0.768864 0.187953 0.348923 C\n0.240608 0.291567 0.078256 C\n0.074939 0.349369 0.140253 C\n0.554534 0.393459 0.096095 C\n0.426463 0.914515 0.789096 C\n0.135802 0.189499 0.205017 C\n0.692052 0.911837 0.880311 C\n0.364198 0.189499 0.705017 C\n0.670392 0.708662 0.213776 C\n0.246087 0.534199 0.422313 C\n0.724218 0.300168 0.139248 C\n0.926463 0.085485 0.710904 C\n0.241637 0.873674 0.993428 C\n0.725584 0.606512 0.836131 C\n0.945466 0.393459 0.596095 C\n0.014677 0.170931 0.574156 C\n0.275782 0.699832 0.860752 C\n0.207195 0.709772 0.071455 C\n0.985053 0.997746 0.382279 C\n0.258363 0.873674 0.493428 C\n0.925061 0.650631 0.859747 C\n0.307948 0.088163 0.119689 C\n0.014947 0.002254 0.617721 C\n0.485323 0.170931 0.074156 C\n0.740608 0.708433 0.421744 C\n0.817732 0.882304 0.119062 Br\n0.938225 0.621358 0.152284 Br\n0.317732 0.117696 0.380938 Br\n0.438225 0.378642 0.347716 Br\n0.182268 0.117696 0.880938 Br\n0.561775 0.621358 0.652284 Br\n0.061775 0.378642 0.847716 Br\n0.682268 0.882304 0.619062 Br\n0.003912 0.617647 0.885616 O\n0.725396 0.909305 0.410051 O\n0.905902 0.875134 0.777174 O\n0.225396 0.090695 0.089949 O\n0.486178 0.775482 0.981767 O\n0.621005 0.053084 0.684433 O\n0.703634 0.087120 0.057856 O\n0.016754 0.393986 0.553828 O\n0.490246 0.049307 0.910083 O\n0.234512 0.646791 0.063919 O\n0.647340 0.382199 0.777069 O\n0.423667 0.466072 0.786794 O\n0.986178 0.224518 0.518233 O\n0.594098 0.875134 0.277174 O\n0.818115 0.543384 0.347165 O\n0.378995 0.946916 0.315567 O\n0.405902 0.124866 0.722826 O\n0.121005 0.946916 0.815567 O\n0.352660 0.617801 0.222931 O\n0.765488 0.353209 0.936081 O\n0.681885 0.543384 0.847165 O\n0.758778 0.243282 0.123323 O\n0.094098 0.124866 0.222826 O\n0.266782 0.290691 0.014862 O\n0.647698 0.710652 0.149028 O\n0.655713 0.085856 0.240662 O\n0.181885 0.456616 0.652835 O\n0.265488 0.646791 0.563919 O\n0.147340 0.617801 0.722931 O\n0.977596 0.797293 0.972093 O\n0.923667 0.533928 0.713206 O\n0.160953 0.810687 0.694572 O\n0.203634 0.912880 0.442144 O\n0.939013 0.028822 0.908645 O\n0.983246 0.606014 0.446172 O\n0.516754 0.606014 0.946172 O\n0.522404 0.797293 0.472093 O\n0.706228 0.510362 0.524806 O\n0.734512 0.353209 0.436081 O\n0.509754 0.950693 0.089917 O\n0.076333 0.466072 0.286794 O\n0.996088 0.382353 0.114384 O\n0.741222 0.243282 0.623323 O\n0.318115 0.456616 0.152835 O\n0.206228 0.489638 0.975194 O\n0.147698 0.289348 0.350972 O\n0.009754 0.049307 0.410083 O\n0.296366 0.912880 0.942144 O\n0.503912 0.382353 0.614384 O\n0.990246 0.950693 0.589917 O\n0.878995 0.053084 0.184433 O\n0.852660 0.382199 0.277069 O\n0.796366 0.087120 0.557856 O\n0.483246 0.393986 0.053828 O\n0.344287 0.914144 0.759338 O\n0.241222 0.756718 0.876677 O\n0.439013 0.971178 0.591355 O\n0.576333 0.533928 0.213206 O\n0.733218 0.709309 0.985138 O\n0.513822 0.224518 0.018233 O\n0.352302 0.289348 0.850972 O\n0.793772 0.510362 0.024806 O\n0.844287 0.085856 0.740662 O\n0.496088 0.617647 0.385616 O\n0.022404 0.202707 0.027907 O\n0.560987 0.028822 0.408645 O\n0.274604 0.090695 0.589949 O\n0.477596 0.202707 0.527907 O\n0.233218 0.290691 0.514862 O\n0.258778 0.756718 0.376677 O\n0.660953 0.189313 0.805428 O\n0.339047 0.810687 0.194572 O\n0.013822 0.775482 0.481767 O\n0.155713 0.914144 0.259338 O\n0.774604 0.909305 0.910051 O\n0.852302 0.710652 0.649028 O\n0.060987 0.971178 0.091355 O\n0.766782 0.709309 0.485138 O\n0.293772 0.489638 0.475194 O\n0.839047 0.189313 0.305428 O\n",
"nsites": 192,
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"elements": [
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"Sn",
"C",
"Br",
"O"
],
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"density": 2.2327481895685652,
"density_atomic": 0.05482620764998812,
"volume": 3501.9748443250496,
"volume_molar": 10.98405492213778,
"formula_full": "Mn16 Sn8 C80 Br8 O80",
"formula_reduced": "Mn2SnC10BrO10",
"formula_anonymous": "ABC2D10E10",
"energy": -1477.3976225600002,
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"spacegroup": 14
},
{
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"structure_string": "Ge2\n1.0\n0.000000 2.881431 2.881431\n2.881431 0.000000 2.881431\n2.881431 2.881431 0.000000\nGe\n2\ndirect\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n",
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"spacegroup": 227
},
{
"id": "mp-755171",
"created_at": "2022-09-04T14:40:25.057856Z",
"structure_string": "Cr4 Ag4 O16\n1.0\n8.809005 0.000000 0.000000\n0.000000 5.812078 0.000000\n0.000000 3.861083 7.695943\nCr Ag O\n4 4 16\ndirect\n0.544036 0.910142 0.284315 Cr\n0.044036 0.089858 0.215685 Cr\n0.955964 0.910142 0.784315 Cr\n0.455964 0.089858 0.715685 Cr\n0.708489 0.361091 0.898979 Ag\n0.208489 0.638909 0.601021 Ag\n0.791511 0.361091 0.398979 Ag\n0.291511 0.638909 0.101021 Ag\n0.696874 0.754201 0.280450 O\n0.610429 0.265408 0.684699 O\n0.927666 0.966892 0.976384 O\n0.031507 0.813765 0.392365 O\n0.531507 0.186235 0.107635 O\n0.427666 0.033108 0.523616 O\n0.110429 0.734592 0.815301 O\n0.803126 0.754201 0.780450 O\n0.196874 0.245799 0.219550 O\n0.889571 0.265408 0.184699 O\n0.572334 0.966892 0.476384 O\n0.468493 0.813765 0.892365 O\n0.968493 0.186235 0.607635 O\n0.072334 0.033108 0.023616 O\n0.389571 0.734592 0.315301 O\n0.303126 0.245799 0.719550 O\n",
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},
{
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